N-tert-butyl-2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-tert-butyl-2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-tert-butyl-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-tert-butyl-2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-tert-butyl-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-tert-butyl-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C17H27ClN3O3S+ MolecularWeight: 388.93258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC(C)(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC(C)(C)C

InChI

InChI=1S/C17H26ClN3O3S/c1-5-20-8-10-21(11-9-20)25(23,24)13-6-7-15(18)14(12-13)16(22)19-17(2,3)4/h6-7,12H,5,8-11H2,1-4H3,(H,19,22)/p+1